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Phthalide <3-butyl hexahydro->
SpectraBase Compound ID DSUk7ir3Ohf
InChI InChI=1S/C12H20O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h9-11H,2-8H2,1H3
InChIKey TZRMFZSOOVBPPN-UHFFFAOYSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EaO7HBErO8
Name 3-Butylhexahydrophthalide
CAS Registry Number 3553-34-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C12H20O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h9-11H,2-8H2,1H3
InChIKey TZRMFZSOOVBPPN-UHFFFAOYSA-N
Molecular Weight 196.290 g/mol
SMILES C1(OC(CCCC)C2C1CCCC2)=O
SPLASH splash10-00lg-9100000000-423fc21cfabeda660983
Source ex LOMATIUM DISSECTUM
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Phthalide<3-butyl hexahydro->
Wiley ID 1887785